Article
Crystallography
Guocai Tian, Huanhuan Du, Qingxiang Yuan
Summary: The study showed that benzene has significant effects on the physical and chemical properties of ionic liquids, leading to changes in density, viscosity, and conductivity as benzene concentration increases. The adsorption behavior of benzene on the Cu(111) surface plays a crucial role in these changes.
Article
Chemistry, Physical
Liang Wei, Zeyu Geng, Yantong Liu, Ruizhong Lu, Yifan Xu, Chunjie Liu, Yun Xu
Summary: Four different mercapto carboxylic anion functionalized ionic liquids were designed and studied for their H2S uptake capabilities. The results showed high absorption capacity and low energy consumption during desorption, making them a promising alternative for H2S absorption.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Analytical
Simon Doblinger, Catherine E. Hay, Liliana C. Tome, David Mecerreyes, Debbie S. Silvester
Summary: This research investigates the use of mixed membranes composed of conductive poly(IL)s and ionic liquids in amperometric gas sensors. The study finds that the membranes exhibit high robustness and non-flowing properties, while also showing excellent and reproducible analytical responses towards gases. The results demonstrate the potential of these membranes as designer gas sensor materials for robust sensor devices.
ANALYTICA CHIMICA ACTA
(2022)
Article
Engineering, Chemical
Shuzi Liu, Dongkun Yu, Yu Chen, Ruifen Shi, Fengyi Zhou, Tiancheng Mu
Summary: This paper introduces the evaluation method of thermal stability of deep eutectic solvents (DESs). Traditional thermogravimetric analysis (TGA) has issues such as decomposition overlap and low resolution, while high-resolution TGA (HR-TGA) can more accurately evaluate the thermal stability of DESs.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Ryo Watanabe, Fumiya Karasawa, Chikamasa Yokoyama, Kazumasa Oshima, Masahiro Kishida, Masahiro Hori, Yukinori Ono, Shigeo Satokawa, Priyanka Verma, Choji Fukuhara
Summary: This study evaluated the catalytic properties of Fe/CeO2 catalyst, commercial Cu-Zn catalyst, and Co-Mo catalyst for the reverse water gas shift reaction (RWGS) in the presence of hydrogen sulfide (H2S). The Fe/CeO2 catalyst showed higher catalytic activity compared to the commercial Cu-Zn and Co-Mo catalysts, and exhibited stable performance in the RWGS environment with high concentrations of H2S. The role of cofeeding H2S was investigated and found to enhance RWGS performance by serving as a hydrogen source to reduce CO2.
Article
Chemistry, Physical
Mi Zhang, Bei Dong, Yu Wu, Hui Hu, Hao Huang
Summary: Amino-functionalized ILs are promising absorbents for H2S, and in this study, three triethylenetetramine functionalized ionic liquids (TETAH-ILs) were synthesized and mixed with ethylene glycol (EG) to form solutions. Among the [TETAH][HCOO]-EG, [TETAH][BF4]-EG, and [TETAH]Br-EG absorbents, [TETAH][BF4]-EG exhibited the highest H2S absorption capacity. Various factors, including IL molar fraction, absorption temperature, and H2S flow rate, were investigated to evaluate their effects on the absorption performance of [TETAH][BF4]-EG. The results showed that the 10% [TETAH][BF4]-EG mixed solution had excellent absorption capacity at 303.15 K and 100 mL/min. Additionally, the absorbent retained 75.12% absorption capacity after four regenerations, indicating its potential for reversibility. The mechanism of H2S absorption by TETAH-ILs was proposed based on FT-IR and H-1 NMR characterization and theoretical calculation, revealing the formation of IL-H2S complexes through a series of hydrogen bonds.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Patrick Vossnacker, Alisa Wuest, Carsten Mueller, Merlin Kleoff, Sebastian Riedel
Summary: The preparation and structural characterization of [NEt3Me](2)[SCl6], the first example of a [SCl6](2-) dianion and a halosulfate anion of the type [SxXy](z-) in general, are described. This dianion belongs to the group of 14-valence electron AB(6)E systems and forms an octahedral structure in the solid-state. Co-crystallization with CH2Cl2 leads to the formation of [NEt3Me](2)[SCl6].4 CH2Cl2 containing [SCl6](2-) dianions with C-4v symmetry. Quantum-chemical calculations suggest that the distortion of the structure is caused by enhanced hydrogen bonding interactions with CH2Cl2, rather than a stereochemically active lone pair. Raman spectroscopy confirms that [NEt3Me](2)[SCl6] decomposes to various sulfur chlorine compounds at elevated temperatures and selectively forms back to a compound similar to SCl4 when cooled to room temperature.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Biochemistry & Molecular Biology
Dorota Babilas, Anna Kowalik-Klimczak, Anna Mielanczyk
Summary: This study investigated the possibility of using electrodialysis (ED) to recover 1,3-dialkylimidazolium ionic liquid (IL), specifically N,N-dibutylimidazolium chloride ([C4C4IM]Cl). The results showed that ED allows for the recovery and concentration of [C4C4IM]Cl from dilute aqueous solutions, with the [C4C4IM]Cl content in the concentrates being over three times higher than in the initial solutions. The highest recovery and ED efficiency were obtained when the initial [C4C4IM]Cl concentration in the solution was 20 g/L.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Engineering, Chemical
Ping Liu, Kaixing Cai, Mao Liu, Fei Liu, Peng Chen, Tianxiang Zhao
Summary: We demonstrate an effective strategy for the capture and conversion of H2S in novel superbase protic ionic liquids. The synthesized superbase protic ionic liquids show unprecedented H2S uptake via chemical absorption and the activated H2S can be further converted into high value-added thiols in situ. This SPIL-mediated scheme provides an alternative approach for the capture and chemical conversion of H2S.
Article
Multidisciplinary Sciences
Tri Partono Adhi, Yohanes Andre Situmorang, Haryo Pandu Winoto, Danu Ariono, Diannisa Septiana, Patricia Imanuela, Antonius Indarto
Summary: The research found that pure [bmim][Br] ionic liquid has high selectivity to H2S compared to conventional amine solutions, with the mixture of [bmim][Br]-MDEA at a mass ratio of 1:3 providing the highest H2S/CO2 selectivity of 6.2 under certain absorption conditions.
Article
Chemistry, Physical
Seyed Pezhman Mousavi, Saeid Atashrouz, Reza Nakhaei-Kohani, Fahimeh Hadavimoghaddam, Ali Shawabkeh, Abdolhossein Hemmati-Sarapardeh, Ahmad Mohaddespour
Summary: This study utilized deep learning approaches to predict the solubility of hydrogen sulfide (H2S) in ionic liquids (ILs). The results showed that the convolutional neural network (CNN) model provided accurate, rapid, flexible, and inexpensive estimations for H2S solubility in ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Environmental
Guilherme Jeremias, Fatima Jesus, Sonia P. M. Ventura, Fernando J. M. Goncalves, Jana Asselman, Joana L. Pereira
Summary: The molecular effects of ionic liquids on organisms were investigated, with different ILs showing varying levels of toxicity at the transcriptional level, suggesting the importance of alkyl chain length in determining toxicity. Despite its argued biological compatibility, cholinium chloride was found to possess environmental hazardous potential.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Bo Guo, Sen Zhang, Xing Xu, Baoyu Gao, Qian Li, Qinyan Yue
Summary: The deterioration of water caused by industrial production is a significant problem. This study demonstrates the use of ferric chloride and poly-ferric chloride coupled with polyamidine to enhance coagulation and remove toxic organics. The addition of polyamidine significantly improves the coagulation performance of the iron-based coagulants. The results show that charge neutralization and adsorption-bridging are the main processes for the removal of organics, and the purification performance is enhanced by the higher charge density of polyamidine.
CHINESE CHEMICAL LETTERS
(2023)
Article
Engineering, Chemical
Wen-Qiang Gong, Xian-Lu Wu, Zhang-Min Li, Yan Zhou, Wenshuai Zhu, Duan-Jian Tao
Summary: The study prepared a kind of sulfate functionalized ILs impregnated hexagonal boron nitride nanosheets for capture of low-concentration SO2, showing high uptake, selectivity, and fast adsorption rate. The material demonstrated excellent separation performance and reversibility in dynamic column breakthrough tests for removing 2000 ppm SO2 in a mixture of SO2/CO2/N-2.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Applied
Zhaosheng Fan, Jianbo Chen, Suqin Sun, Qun Zhou
Summary: The high viscosity of ionic liquids can be decreased by forming complexes with anions, which leads to improved extrusion velocity and higher quality fibers in the wet-spinning process of cellulose fibers.
CARBOHYDRATE POLYMERS
(2021)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)